1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde

C12H17N3O3 — CID 10377474

IUPAC1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde
SMILESCn1c(N2CCCCC2)c(C=O)c(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O3/c1-13-10(15-6-4-3-5-7-15)9(8-16)11(17)14(2)12(13)18/h8H,3-7H2,1-2H3
InChIKeyFHBSUGXCFFXSAX-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.11
Rot. Bonds2

About 1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde

1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde (PubChem CID 10377474) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde
PubChem CID10377474
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde
SMILESCn1c(N2CCCCC2)c(C=O)c(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O3/c1-13-10(15-6-4-3-5-7-15)9(8-16)11(17)14(2)12(13)18/h8H,3-7H2,1-2H3
InChIKeyFHBSUGXCFFXSAX-UHFFFAOYSA-N
XLogP-0.11
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde (CID 10377474) is 1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde is Cn1c(N2CCCCC2)c(C=O)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde?
The InChIKey is FHBSUGXCFFXSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-13-10(15-6-4-3-5-7-15)9(8-16)11(17)14(2)12(13)18/h8H,3-7H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde?
1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde has a molecular weight of 251.29 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 10377474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).